The protected surface states of topological insulators (TIs) form gapless Dirac cones corresponding non-degenerate eigenstates with helical spin polarisation. The presence of a warping term deforms the isotropic cone of the most simple model into snowflake Fermi surfaces as in Bi2Se3 and Bi2Te3. Their features have been identified in STM quasiparticle interference (QPI) experiments on isolated surfaces. Here we investigate the QPI spectrum for the TI thin-film geometry with finite tunnelling between the surface states. This leads to a dramatic change of spectrum due to gapping and a change in spin texture that should leave distinct signatures in the QPI pattern. We consider both normal and magnetic exchange scattering from the surface impurities and obtain the scattering t-matrix in Born approximation as well as the general closed solution. We show the expected systematic variation of QPI snowflake intensity features by varying film thickness and study, in particular, the influence on backscattering processes. We predict the variation of the QPI spectrum for Bi2Se3 thin films using the observed gap dependence from ARPES results.
Combining first-principles calculations and spin- and angle-resolved photoemission spectroscopy measurements, we identify the helical spin textures for three different Dirac cone states in the interfaced systems of a 2D topological insulator (TI) of Bi(111) bilayer and a 3D TI Bi2Se3 or Bi2Te3. The spin texture is found to be the same for the intrinsic Dirac cone of Bi2Se3 or Bi2Te3 surface state, the extrinsic Dirac cone of Bi bilayer state induced by Rashba effect, and the hybridized Dirac cone between the former two states. Further orbit- and atom-resolved analysis shows that s and pz orbit…
Relativistic spin-orbit coupling plays an essential role in the field of topological insulators and quantum spintronics. It gives rise to the topological non-trivial band structure and enables electric manipulation of the spin degree of freedom. Because of the spin-orbit coupling, rich spin-orbital coupled textures can exist both in momentum and in real space. For three dimensional topological insulators in the Bi$_2$Se$_3$ family, topological surface states with p$_z$ orbitals have a left-handed spin texture for the upper Dirac cone and a right-handed spin texture for the lower Dirac cone. In…
We present first principles calculations of the nontrivial surface states and their spin-textures in the topological crystalline insulator SnTe. The surface state dispersion on the [001] surface exhibits four Dirac-cones centered along the intersection of the mirror plane and the surface plane. We propose a simple model of two interacting coaxial Dirac cones to describe both the surface state dispersion and the associated spin-texture. While the out-of-the-plane spin polarization is zero due to the crystalline and time-reversal symmetries, the in-plane spin texture shows helicity with some dis…
The Su-Schrieffer-Heeger (SSH) model in a two-dimensional rectangular lattice features gapless or gapped Dirac cones with topological edge states along specific peripheries. While such a simple model has been recently realized in photonic/acoustic lattices and electric circuits, its material realization in condensed matter systems is still lacking. Here, we study the atomic and electronic structure of a rectangular Si lattice on Ag(001) by angle-resolved photoemission spectroscopy and theoretical calculations. We demonstrate that the Si lattice hosts gapped Dirac cones at the Brillouin zone co…
Topological insulators (TIs) are a unique class of materials characterized by a surface (edge) Dirac cone state of helical Dirac fermions in the middle of bulk (surface) gap. When the thickness (width) of TIs is reduced, however, interaction between the surface (edge) states will open a gap removing the Dirac cone. Using density function theory calculation, we demonstrate the creation of helical Dirac fermions from interfacing two gapped TI films, a single bilayer Bi grown on a single quintuple layer Bi2Se3 or Bi2Te3. The theoretical prediction is directly confirmed by experiment. We further s…
Weak topological insulators possess a symmetry related set of Dirac-Weyl cones in the surface Brillouin zone, implying misorientation between the principle axis of the low energy manifold of the bulk and the surface normal. We show that this feature of weak topological insulators comes with a hidden richness of surface spin textures, and that by misorientation a helical texture can become an unusual hyperbolic spin texture. We illustrate this effect by comparison of the $M$-point and $Γ$-point Dirac-Weyl cones on the (111) surface of the crystalline topological insulator SnTe.
We derive the spin texture of a weak topological insulator via a supersymmetric approach that includes the roles of the bulk gap edge states and surface band bending. We find the spin texture can take one of four forms: (i) helical, (ii) hyperbolic, (iii) hedgehog, with spins normal to the Dirac-Weyl cone of the surface state, and (iv) hyperbolic hedgehog. Band bending determines the winding number in the case of a helical texture, and for all textures can be used to tune the spin texture polarization to zero. For the weak topological insulator SnTe, we show that inclusion of band bending is c…
The presence of an exchange field in topological insulators reveals novel spin related phenomena derived from the combination of topology and magnetism. In the present work we show the controlled occurrence of either metallic or gapped topological Dirac states at the interface between ultrathin Cr films and the Bi$_2$Se$_3$ surface. The opening and closing of the gap at the Dirac point is caused by the spin reorientation transitions arising in the Cr films. We find that atom thin layers of Cr adhered to Bi$_2$Se$_3$ surfaces present a magnetic ground state with ferromagnetic planes coupled ant…
Several theoretical predictions have claimed that the neutral exciton of TMDCs splits into a transversal and longitudinal exciton branch, with the longitudinal one, which is the upper branch, exhibiting an extraordinary strong dispersion in the meV range within the light cone. Historically, this was linked for semiconductor quantum wells to strong far-field optical dipole coupling, or strong electronic long-range exchange interactions, describing two sides of the same coin. Recently, experiments utilizing Fourier-space spectroscopy have shown that the exciton (exciton-polariton) dispersion can…
Using density-functional theory, we calculate the electronic bandstructure of single-layer graphene on top of hexagonal In_2Te_2 monolayers. The geometric configuration with In and Te atoms at centers of carbon hexagons leads to a Kekule' texture with an ensuing bandgap of 20 meV. The alternative structure, nearly degenerate in energy, with the In and Te atoms on top of carbon sites is characterized instead by gapless spectrum with the original Dirac cones of graphene reshaped, depending on the graphene-indium chalcogenide distance, either in the form of an undoubled pseudo-spin one Dirac cone…
We use large-scale DFT calculations to investigate with unprecedented detail the so-called spin-orbit (SO) proximity effect in graphene adsorbed on the Pt(111) and Ni(111)/Au semi-infinite surfaces, previously studied via spin and angle resolved photoemission (SP-ARPES) experiments. The key finding is that, due to the hybridization with the metal's bands, the Dirac cones manifest an unexpectedly rich spin texture including out-of-plane and even radial in-plane spin components at (anti)crossings where local gap openings and deviations from linearity take place. Both the continuum character of t…
By breaking the inversion symmetry of the three-dimensional Dirac metal Na$_3$Bi, we realize topological insulator (TI) phases in the known compound NaBaBi using $ab~initio$ calculations. Two distinct TI phases emerge: one phase is due to band inversion between the Bi $p$ and Na $s$ bands, and the other phase (under pressure) is induced by inversion of the Bi $p$ and Ba $d$ bands. Both phases exhibit Dirac-cone-type surface states, but they have opposite spin textures. In the upper cone, a left-handed spin texture exists for the $s$-$p$ inverted phase (similar to a common TI, e.g., Bi$_2$Se$_3…
The newly discovered topological crystalline insulators (TCIs) harbor a complex band structure involving multiple Dirac cones. These materials are potentially highly tunable by external electric field, temperature or strain and could find future applications in field-effect transistors, photodetectors, and nano-mechanical systems. Theoretically, it has been predicted that different Dirac cones, offset in energy and momentum-space, might harbor vastly different orbital character, a unique property which if experimentally realized, would present an ideal platform for accomplishing new spintronic…
We have investigated spin reorientation phenomena and interaction driven effects under the presence of applied strains on the (001) surface of Pb$_{1-x}$Sn$_x$(Te, Se) topological crystalline insulators, which host multiple Dirac cones. Our analysis is based on a four-band $k\cdot p$ model, which captures the spin and orbital textures of the surface states at low energies around the $\bar{X}$ and $\bar{Y}$ points, including the Lifshitz transition. Even without breaking the time-reversal symmetry, we find that certain strains which break the mirror symmetry can induce hedgehog-like spin textur…
We investigate a magnetic proximity effect on Dirac surface states of topological insulator (TI) induced by a Bi$_2$Se$_3$/EuS interface, using density-functional theory (DFT) and a low-energy effective model, motivated by a recent experimental realization of the interface. We consider a thin ferromagnetic insulator EuS film stacked on top of Bi$_2$Se$_3$(111) slabs of three or five quintuple layers (QLs) with the magnetization of EuS normal to the interface ($z$ axis), which breaks both time-reversal and inversion symmetry. It is found that a charge transfer and surface relaxation makes the D…
The magnitude of electron spin polarization in topologically protected surface states is an important parameter with respect to spintronics applications. In order to analyze the warped spin texture in Bi$_2$Te$_3$ thin films, we combine angle- and spin-resolved photoemission experiments with theoretical \textit{ab initio} calculations. We find an \textit{in-plane} spin polarization of up to $\sim$~45\% in the topologically protected Dirac cone states near the Fermi level. The Fermi surface of the Dirac cone state is warped and shows an \textit{out-of-plane} spin polarization of $\sim$~15\%. Th…
Recently, orbital-textures have been found in Rashba and topological insulator (TI) surface states as a result of the spin-orbit coupling (SOC). Here, we predict a $p_x/p_y$ orbital texture, in linear dispersive Dirac bands, arising at the K/K' points of $χ$-$h_0$ borophene chiral monolayer. Combining first-principles calculations with effective hamiltonians, we show that the orbital pseudospin has its direction locked with the momentum in a similar way as TIs' spin-textures. Additionally, considering a layer pseudospin degree of freedom, this lattice allows stackings of layers with equivalent…
The topological surface states of mercury telluride (HgTe) are studied by ab initio calculations assuming different strains and surface terminations. For the Te-terminated surface, a single Dirac cone exists at the $Γ$ point. The Dirac point shifts up from the bulk valence bands into the energy gap when the substrate-induced strain increases. At the experimental strain value (0.3%), the Dirac point lies slightly below the bulk valence band maximum. A left-handed spin texture was observed in the upper Dirac cone, similar to that of the Bi$_2$Se$_3$-type topological insulator. For the Hg-termina…
We report a new, cleavable, strong-topological-metal, Zr2Te2P, which has the same tetradymite-type crystal structure as the topological insulator Bi2Te2Se. Instead of being a semiconductor, however, Zr2Te2P is metallic with a pseudogap between 0.2 and 0.7 eV above the fermi energy (EF). Inside this pseudogap, two Dirac dispersions are predicted: one is a surface-originated Dirac cone protected by time-reversal symmetry (TRS), while the other is a bulk-originated and slightly gapped Dirac cone with a largely linear dispersion over a 2 eV energy range. A third surface TRS-protected Dirac cone is…
Borophene is a monolayer materials made of boron. A perfect planar boropehene called $β_{12}$ borophene has Dirac cones and they are well reproduced by a tight-binding model according to recent experimental and first-principles calculation results. We explicitly derive a Dirac theory for them. Dirac cones are gapless when the inversion symmetry exists, while they are gapped when it is broken. In addition, three-band touching points emerge together with pseudospin triplet fermions when all transfer energy is equal and all on-site energy is equal. The three-band touching is slightly resolved oth…
Two-dimensional Dirac physics has aroused great interests in condensed matter physics ever since the discovery of graphene and topological insulators due to its importance in both fundamental physics and device applications. The ability to control the properties of Dirac cones, such as bandgap and Fermi velocity, is essential for the occurrence of various new phenomena and the development of next-generation electronic devices. Based on first-principles calculations and an analytical effective model, we propose a new Dirac system with eight Dirac cones in thin films of the (LaO)2(SbSe2)2 family…
We theoretically and numerically investigate magnetic domain wall dynamics in a nanowire of easy-cone magnet. The easy-cone domain wall exhibits several distinguishing dynamic features in comparison to the easy-axis domain wall. The features of easy-cone domain wall are related to the generation of additional chiral spin textures due to the domain wall precession, which is common for various driving sources such as magnetic fields and spin-transfer torques. The unique easy-cone domain wall dynamics could enrich magnetic domain wall study and find use in device applications based on easy-cone d…
We report the observation of a non-trivial spin texture in Dirac node arcs, novel topological objects formed when Dirac cones of massless particles extend along an open one-dimensional line in momentum space. We find that such states are present in all the compounds of the tetradymite M$_2$Te$_2$X family (M$=$Ti, Zr or Hf and X$=$P or As), regardless of the weak or strong character of the topological invariant. The Dirac node arcs in tetradymites are thus the simplest possible, textbook example, of a type-I Dirac system with a single spin-polarized node arc.
We propose a realization of chiral Majorana modes propagating on the hinges of a 3D antiferromagnetic topological insulator, which was recently theoretically predicted and experimentally confirmed in the tetradymite-type $\mathrm{MnBi_2Te_4}$-related ternary chalgogenides. These materials consist of ferromagnetically ordered 2D layers, whose magnetization direction alternates between neighboring layers, forming an antiferromagnetic order. Besides surfaces with a magnetic gap, there also exsist gapless surfaces with a single Dirac cone, which can be gapped out when proximity coupled to an $s$-w…
Based on first-principles calculations and k .p effective models, we report physical properties of ferroelectric-like hexagonal polar metals with P63mc symmetry, which are distinct from those of conventional metals with spatial inversion symmetry. Spin textures exist on the Fermi surface of polar metals (e.g. ternary LiGaGe and elemental polar metal of Bi) and spin-momentum locking exist on accidental Dirac cones on the sixfold rotational axis, due to the spin-orbit coupling and lack of inversion symmetry in polar space group. This effect has potential applications in spin-orbitronics. Dirac p…
A three-dimensional topological insulator features a two-dimensional surface state consisting of a single linearly-dispersive Dirac cone. Under broken time-reversal symmetry, the single Dirac cone is predicted to cause half-integer quantization of Hall conductance, which is a manifestation of the parity anomaly in quantum field theory. However, despite various observations of quantization phenomena, the half-integer quantization has been elusive because a pair of equivalent Dirac cones on two opposing surfaces are simultaneously measured in ordinary experiments. Here we demonstrate the half-in…
We analytically establish an anomalous transverse flow of heat in 8-\textit{Pmmn} borophene, one of the several two-dimensional (2D) allotropes of Boron (B). The dispersion of this allotrope contains a pair of anisotropic and tilted Dirac cones which are gapped by placing the 2D \textit{B} sheet under an intense circularly-polarized illumination. A gap in the Dirac dispersion leads to a finite Berry curvature and connected anomalous Hall effects. In the case of thermoelectrics, this manifests as a heat current perpendicular to the temperature gradient - the thermal Hall effect. A quantitative …
Three dimensional topological insulator crystals consist of an insulating bulk enclosed by metallic surfaces, and detailed theoretical predictions about the surface state band topology and spin texture are available. While several topological insulator materials are currently known, the existence and topology of these metallic states have only ever been probed for one particular surface orientation of a given material. For most topological insulators, such as Bi$_{1-x}$Sb$_{x}$ and Bi$_2$Se$_3$, this surface is the closed-packed (111) surface and it supports one topologically guaranteed surfac…
We present a detailed investigation of the topological phases and Majorana fermion (MF) excitations that arise from the bulk interplay between (un)conventional one/two-band spin-singlet superconductivity and a number of magnetic texture crystals. The latter define inhomogeneous magnetization profiles which consist of a periodically-repeating primitive cell. Here we focus on magnetic texture crystals with a primitive cell of the helix, whirl, and skyrmion types, which feature distinct symmetry properties. We identify a multitude of accessible topological phases which harbor flat, uni- or bi-dir…
For the IV-VI semiconductor family we derive an exact relation between the microscopic gap edge wave functions of the bulk insulator and the Dirac-Weyl topological surface state wave function, thus obtaining a fully microscopic surface state. We find that the balance of spin-orbit interaction and crystal field in the bulk, and the band bending at the surface, can profoundly influence the surface state spin-momentum locking. As a manifestation of this we predict that the spin texture of the $M$-point Dirac cones of SnTe can be tuned through an unexpectedly rich sequence of spin textures -- warp…
Dzyaloshinskii-Moriya interaction (DMI) is vital to form various chiral spin textures, novel behaviors of magnons and permits their potential applications in energy-efficient spintronic devices. Here, we realize a sizable bulk DMI in a transition metal dichalcogenide (TMD) 2H-TaS2 by intercalating Fe atoms, which form the chiral supercells with broken spatial inversion symmetry and also act as the source of magnetic orderings. Using a newly developed protonic gate technology, gate-controlled protons intercalation could further change the carrier density and intensely tune DMI via the Ruderman-…
Topological insulators are novel macroscopic quantum-mechanical phase of matter, which hold promise for realizing some of the most exotic particles in physics as well as application towards spintronics and quantum computation. In all the known topological insulators, strong spin-orbit coupling is critical for the generation of the protected massless surface states. Consequently, a complete description of the Dirac state should include both the spin and orbital (spatial) parts of the wavefunction. For the family of materials with a single Dirac cone, theories and experiments agree qualitatively…
Recent theories and experiments have suggested that strong spin-orbit coupling effects in certain band insulators can give rise to a new phase of quantum matter, the so-called topological insulator, which can show macroscopic entanglement effects. Such systems feature two-dimensional surface states whose electrodynamic properties are described not by the conventional Maxwell equations but rather by an attached axion field, originally proposed to describe strongly interacting particles. It has been proposed that a topological insulator with a single spin-textured Dirac cone interfaced with a su…
Graphene, topological insulators, and Weyl semimetals are three widely studied materials classes which possess Dirac or Weyl cones arising from either sublattice symmetry or spin-orbit coupling. In this work, we present a theory of a new class of bulk Dirac and Weyl cones, dubbed Weyl orbital semimetals, where the orbital polarization and texture inversion between two electronic states at discrete momenta lend itself into protected Dirac or Weyl cones without spin-orbit coupling. We also predict several families of Weyl orbital semimetals including V$_3$S$_4$, NiTi3S6, BLi, and PbO$_2$ via fir…
We find that quantum spin Hall (QSH) state can be obtained on a square-like or rectangular lattice, which is generalized from two-dimensional (2D) transition metal dichalcogenide (TMD) haeckelites. Band inversion is shown to be controled by hopping parameters and results in Dirac cones with opposite or same vorticity when spin-orbit coupling (SOC) is not considered. Effective k$\cdot$p model has been constructed to show the merging or annihilation of these Dirac cones, supplemented with the intuitive pseudospin texture. Similar to graphene based honeycomb lattice system, the QSH insulator is d…
Recent studies show superconductivity provides new perspectives on spintronics. We study a heterostructure composed of an s-wave superconductor and a cubic chiral-magnet that can stabilize a topological spin texture, a skyrmion. We propose a supercurrent-induced spin torque that originates from the spin-orbit coupling, and we show that the spin torque can drive a skyrmion in an efficient way that reduces Joule heating. We also study the band structure of Bogoliubov quasiparticles and show the existence of Weyl points, whose positions can be controlled by the direction of the magnetization. Thi…
We report transport studies on a three dimensional, 70 nm thick HgTe layer, which is strained by epitaxial growth on a CdTe substrate. The strain induces a band gap in the otherwise semi-metallic HgTe, which thus becomes a three dimensional topological insulator. Contributions from residual bulk carriers to the transport properties of the gapped HgTe layer are negligible at mK temperatures. As a result, the sample exhibits a quantized Hall effect that results from the 2D single cone Dirac-like topological surface states.
The recent discovered antiferromagnetic topological insulators in Mn-Bi-Te family with intrinsic magnetic ordering have rapidly drawn broad interest since its cleaved surface state is believed to be gapped, hosting the unprecedented axion states with half-integer quantum Hall effect. Here, however, we show unambiguously by using high-resolution angle-resolved photoemission spectroscopy that a gapless Dirac cone at the (0001) surface of MnBi$_2$Te$_4$ exists between the bulk band gap. Such unexpected surface state remains unchanged across the bulk Néel temperature, and is even robust against se…
Interfacial perpendicular magnetic anisotropy, which is characterized by the first-order (K1) and second-order (K2) anisotropies, is the core phenomenon for nonvolatile magnetic devices. A sizable K2 satisfying a specific condition stabilizes the easy-cone state, where equilibrium magnetization forms at an angle from the film normal. The easy-cone state offers intriguing possibilities for advanced spintronic devices and unique spin textures, such as spin superfluids and easy-cone domain walls. Experimental realization of the easy-cone state requires understanding the origin of K2, thereby enha…
The magnetic proximity effect is a fundamental feature of heterostructures composed of layers of topological insulators and magnetic materials since it underlies many potential applications in devices with novel quantum functionality. Within density functional theory we study magnetic proximity effect at the 3D topological insulator/magnetic insulator (TI/MI) interface in Bi$_2$Se$_3$/MnSe(111) system as an example. We demonstrate that a gapped ordinary bound state which spectrum depends on the interface potential arises in the immediate region of the interface. The gapped topological Dirac st…
Although, the long-standing debate on the resistivity anomaly in ZrTe$_{5}$ somewhat comes to an end, the exact topological nature of the electronic band structure remains elusive till today. Theoretical calculations predicted that bulk ZrTe$_{5}$ to be either a weak or a strong three-dimensional (3D) topological insulator. However, the angle resolved photoemission spectroscopy and transport measurements clearly demonstrate 3D Dirac cone state with a small mass gap between the valence band and conduction band in the bulk. From the magnetization and magneto-transport measurements on ZrTe$_{5}$ …
The layered MnBi2nTe3n+1 family represents the first intrinsic antiferromagnetic topological insulator (AFM TI, protected by a combination symmetry ) ever discovered, providing an ideal platform to explore novel physics such as quantum anomalous Hall effect at elevated temperature and axion electrodynamics. Recent angle-resolved photoemission spectroscopy (ARPES) experiments on this family have revealed that all terminations exhibit (nearly) gapless topological surface states (TSSs) within the AFM state, violating the definition of the AFM TI, as the surfaces being studied should be -breaking …
